Dataset

S4-2_SODXIV_140_[H,13C]_C20_IMINE_04_13_2022-CPS4-2[1]

This dataset contains NMR spectra obtained for the sample -S4-2_SODXIV_140_[H,13C]C20_IMINE_04_13_2022-CPS4-2 date: 2022-04-13T21:03:45.000Z isFt: true name: S4-2_SODXIV_140[H,13C]C20_IMINE_04_13_2022-CPS4-2/1 phc0: -27.05699 phc1: 39.29596 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: C6D6 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1457 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-04-13T21:12:16.000Z isFt: true name: S4-2_SODXIV_140[H,13C]_C20_IMINE_04_13_2022-CPS4-2/2 phc0: -94.77863 phc1: -58.68428 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: C6D6 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1512 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 96 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C27H38N2O/c1-18(29-17-20-6-4-5-15-28-20)23-9-10-24-22-8-7-19-16-21(30)11-13-26(19,2)25(22)12-14-27(23,24)3/h4-7,15,21-25,30H,8-14,16-17H2,1-3H3/b29-18+
SMILES C/C(=N\CC1=NC=CC=C1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChI Key AFVIMQSMVBUCQR-RDRPBHBLSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p70.s555.d2928
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D2928
Version
Author Offei SD, Arman HD, Yoshimoto FK.
Maintainer
Language english
MetadataPublished 2024-06-16T20:19:13.000000Z
Related Molecule
  • nfdi4chem-mol9267 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : C6D6

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)

    Temperature : 298.1457 K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 19.9946778845251

    number of data points : 5 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.